(Z)-2-diazonio-1-[2-[2-[4-(2-dimethylaminoethylcarbamoyloxymethyl)phenyl]ethynyl]cyclopenten-1-yl]prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-[2-[2-[4-(2-dimethylaminoethylcarbamoyloxymethyl)phenyl]ethynyl]cyclopenten-1-yl]prop-1-en-1-olate Openeye Name: (Z)-2-diazonio-1-[2-[2-[4-(2-dimethylaminoethylcarbamoyloxymethyl)phenyl]ethynyl]cyclopenten-1-yl]prop-1-en-1-olate CAS Name: (Z)-2-diazonio-1-[2-[2-[4-[[(2-dimethylaminoethylamino)-oxomethoxy]methyl]phenyl]ethynyl]-1-cyclopentenyl]-1-propen-1-olate IUPAC Name: (Z)-2-diazonio-1-[2-[2-[4-(2-dimethylaminoethylcarbamoyloxymethyl)phenyl]ethynyl]cyclopenten-1-yl]prop-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-[2-[2-[4-(2-dimethylaminoethylcarbamoyloxymethyl)phenyl]ethynyl]cyclopenten-1-yl]prop-1-en-1-olate Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=C(CCC1)C#CC2=CC=C(C=C2)COC(=O)NCCN(C)C)[O-])[N+]#N

Isomeric SMILES

C/C(=C(\C1=C(CCC1)C#CC2=CC=C(C=C2)COC(=O)NCCN(C)C)/[O-])/[N+]#N

InChI

InChI=1S/C22H26N4O3/c1-16(25-23)21(27)20-6-4-5-19(20)12-11-17-7-9-18(10-8-17)15-29-22(28)24-13-14-26(2)3/h7-10H,4-6,13-15H2,1-3H3,(H-,24,27,28)/b21-16-